BDBM50121038 CHEMBL113706::[(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester

SMILES: O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1

InChI Key: InChIKey=YAGNDONYTVCOFN-FCEWJHQRSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50121038   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin L (Rattus norvegicus)	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibitory activity of Cbz-Phe-Arg-AMC against Cathepsin B cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121038 (CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...) Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair